Fluorine in PDB 1l7n: Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
Enzymatic activity of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
All present enzymatic activity of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex):
3.1.3.3;
Protein crystallography data
The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n
was solved by
W.Wang,
H.S.Cho,
R.Kim,
J.Jancarik,
H.Yokota,
H.H.Nguyen,
I.V.Grigoriev,
D.E.Wemmer,
S.H.Kim,
Berkeley Structural Genomics Center (Bsgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
15.00 /
1.80
|
|
Space group
|
P 21 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.195,
70.576,
90.831,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
19.1 /
22.5
|
Other elements in 1l7n:
The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Fluorine atom in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
(pdb code 1l7n). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 14 binding sites of Fluorine where determined in the
Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 1 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F220
b:15.4
occ:0.56
|
F1
|
A:ALF220
|
0.0
|
15.4
|
0.6
|
|
AL
|
A:ALF220
|
1.8
|
19.1
|
0.6
|
|
F1
|
A:AF3219
|
1.8
|
24.1
|
0.4
|
|
F3
|
A:AF3219
|
2.0
|
24.8
|
0.4
|
|
AL
|
A:AF3219
|
2.0
|
24.4
|
0.4
|
|
F3
|
A:ALF220
|
2.5
|
17.6
|
0.6
|
|
F4
|
A:ALF220
|
2.5
|
14.7
|
0.6
|
|
ND2
|
A:ASN170
|
2.6
|
22.1
|
1.0
|
|
O
|
A:HOH863
|
2.7
|
19.4
|
1.0
|
|
OD1
|
A:ASN170
|
2.7
|
23.6
|
1.0
|
|
O
|
A:HOH801
|
2.9
|
23.8
|
1.0
|
|
OD1
|
A:ASP11
|
3.0
|
20.0
|
1.0
|
|
CG
|
A:ASN170
|
3.1
|
22.9
|
1.0
|
|
MG
|
A:MG221
|
3.5
|
20.9
|
1.0
|
|
F2
|
A:ALF220
|
3.5
|
15.7
|
0.6
|
|
O
|
A:HOH914
|
3.6
|
17.4
|
1.0
|
|
NZ
|
A:LYS144
|
3.7
|
20.8
|
1.0
|
|
F2
|
A:AF3219
|
3.7
|
22.7
|
0.4
|
|
SE
|
A:MSE43
|
3.7
|
24.8
|
1.0
|
|
CG
|
A:ASP11
|
3.8
|
19.4
|
1.0
|
|
OD2
|
A:ASP11
|
4.1
|
21.6
|
1.0
|
|
O
|
A:HOH895
|
4.3
|
17.0
|
1.0
|
|
CE
|
A:MSE43
|
4.3
|
18.8
|
1.0
|
|
OD1
|
A:ASP171
|
4.4
|
19.3
|
1.0
|
|
CE
|
A:LYS144
|
4.5
|
19.9
|
1.0
|
|
CB
|
A:ASN170
|
4.6
|
20.5
|
1.0
|
|
N
|
A:GLY100
|
4.6
|
15.9
|
1.0
|
|
OD2
|
A:ASP171
|
4.6
|
17.2
|
1.0
|
|
CG
|
A:ASP171
|
4.9
|
17.2
|
1.0
|
|
Fluorine binding site 2 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 2 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F220
b:15.7
occ:0.56
|
F2
|
A:ALF220
|
0.0
|
15.7
|
0.6
|
|
F2
|
A:AF3219
|
0.3
|
22.7
|
0.4
|
|
AL
|
A:AF3219
|
1.5
|
24.4
|
0.4
|
|
AL
|
A:ALF220
|
1.8
|
19.1
|
0.6
|
|
F4
|
A:ALF220
|
2.5
|
14.7
|
0.6
|
|
F3
|
A:ALF220
|
2.5
|
17.6
|
0.6
|
|
OD1
|
A:ASP11
|
2.5
|
20.0
|
1.0
|
|
F1
|
A:AF3219
|
2.7
|
24.1
|
0.4
|
|
O
|
A:HOH801
|
2.7
|
23.8
|
1.0
|
|
N
|
A:ASP13
|
2.8
|
13.8
|
1.0
|
|
F3
|
A:AF3219
|
2.8
|
24.8
|
0.4
|
|
OG
|
A:SER99
|
2.9
|
15.7
|
1.0
|
|
N
|
A:PHE12
|
2.9
|
13.7
|
1.0
|
|
CB
|
A:PHE12
|
3.3
|
12.8
|
1.0
|
|
CG
|
A:ASP11
|
3.3
|
19.4
|
1.0
|
|
CA
|
A:PHE12
|
3.3
|
13.8
|
1.0
|
|
CB
|
A:SER99
|
3.4
|
15.9
|
1.0
|
|
OD1
|
A:ASP13
|
3.4
|
17.6
|
1.0
|
|
C
|
A:PHE12
|
3.5
|
13.8
|
1.0
|
|
F1
|
A:ALF220
|
3.5
|
15.4
|
0.6
|
|
OD2
|
A:ASP11
|
3.7
|
21.6
|
1.0
|
|
CB
|
A:ASP13
|
3.8
|
14.4
|
1.0
|
|
CA
|
A:ASP13
|
3.8
|
16.1
|
1.0
|
|
CA
|
A:SER99
|
3.9
|
14.8
|
1.0
|
|
CG
|
A:ASP13
|
3.9
|
15.0
|
1.0
|
|
C
|
A:ASP11
|
4.0
|
14.9
|
1.0
|
|
MG
|
A:MG221
|
4.2
|
20.9
|
1.0
|
|
N
|
A:GLY100
|
4.2
|
15.9
|
1.0
|
|
O
|
A:ASP13
|
4.3
|
16.7
|
1.0
|
|
NZ
|
A:LYS144
|
4.4
|
20.8
|
1.0
|
|
CA
|
A:ASP11
|
4.4
|
15.2
|
1.0
|
|
CB
|
A:ASP11
|
4.4
|
17.9
|
1.0
|
|
CG
|
A:PHE12
|
4.5
|
15.0
|
1.0
|
|
C
|
A:SER99
|
4.6
|
15.4
|
1.0
|
|
O
|
A:VAL98
|
4.6
|
17.1
|
1.0
|
|
C
|
A:ASP13
|
4.6
|
15.6
|
1.0
|
|
O
|
A:PHE12
|
4.6
|
14.7
|
1.0
|
|
CD2
|
A:PHE12
|
4.7
|
14.5
|
1.0
|
|
N
|
A:GLY101
|
4.7
|
15.7
|
1.0
|
|
OD2
|
A:ASP13
|
4.9
|
15.1
|
1.0
|
|
O
|
A:HOH863
|
4.9
|
19.4
|
1.0
|
|
O
|
A:HOH914
|
5.0
|
17.4
|
1.0
|
|
Fluorine binding site 3 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 3 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F220
b:17.6
occ:0.56
|
F3
|
A:ALF220
|
0.0
|
17.6
|
0.6
|
|
F1
|
A:AF3219
|
0.7
|
24.1
|
0.4
|
|
AL
|
A:ALF220
|
1.8
|
19.1
|
0.6
|
|
AL
|
A:AF3219
|
1.9
|
24.4
|
0.4
|
|
N
|
A:GLY100
|
2.5
|
15.9
|
1.0
|
|
F1
|
A:ALF220
|
2.5
|
15.4
|
0.6
|
|
F2
|
A:ALF220
|
2.5
|
15.7
|
0.6
|
|
F2
|
A:AF3219
|
2.7
|
22.7
|
0.4
|
|
OD1
|
A:ASP11
|
2.7
|
20.0
|
1.0
|
|
NZ
|
A:LYS144
|
2.8
|
20.8
|
1.0
|
|
O
|
A:HOH801
|
2.9
|
23.8
|
1.0
|
|
CA
|
A:SER99
|
3.1
|
14.8
|
1.0
|
|
C
|
A:SER99
|
3.3
|
15.4
|
1.0
|
|
ND2
|
A:ASN170
|
3.3
|
22.1
|
1.0
|
|
F3
|
A:AF3219
|
3.4
|
24.8
|
0.4
|
|
CE
|
A:LYS144
|
3.4
|
19.9
|
1.0
|
|
OG
|
A:SER99
|
3.4
|
15.7
|
1.0
|
|
CA
|
A:GLY100
|
3.5
|
16.1
|
1.0
|
|
F4
|
A:ALF220
|
3.5
|
14.7
|
0.6
|
|
CB
|
A:SER99
|
3.7
|
15.9
|
1.0
|
|
CG
|
A:ASP11
|
4.0
|
19.4
|
1.0
|
|
O
|
A:VAL98
|
4.1
|
17.1
|
1.0
|
|
N
|
A:GLY101
|
4.1
|
15.7
|
1.0
|
|
C
|
A:GLY100
|
4.2
|
15.3
|
1.0
|
|
CG
|
A:ASN170
|
4.3
|
22.9
|
1.0
|
|
N
|
A:SER99
|
4.3
|
17.2
|
1.0
|
|
O
|
A:SER99
|
4.5
|
15.6
|
1.0
|
|
OD1
|
A:ASN170
|
4.6
|
23.6
|
1.0
|
|
C
|
A:VAL98
|
4.7
|
16.8
|
1.0
|
|
N
|
A:PHE12
|
4.7
|
13.7
|
1.0
|
|
OD2
|
A:ASP11
|
4.7
|
21.6
|
1.0
|
|
O
|
A:HOH863
|
4.8
|
19.4
|
1.0
|
|
OD1
|
A:ASP171
|
4.9
|
19.3
|
1.0
|
|
OD1
|
A:ASP13
|
4.9
|
17.6
|
1.0
|
|
CD
|
A:LYS144
|
4.9
|
18.6
|
1.0
|
|
CB
|
A:ASP11
|
5.0
|
17.9
|
1.0
|
|
Fluorine binding site 4 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 4 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F220
b:14.7
occ:0.56
|
F4
|
A:ALF220
|
0.0
|
14.7
|
0.6
|
|
F3
|
A:AF3219
|
0.6
|
24.8
|
0.4
|
|
AL
|
A:AF3219
|
1.7
|
24.4
|
0.4
|
|
AL
|
A:ALF220
|
1.8
|
19.1
|
0.6
|
|
MG
|
A:MG221
|
2.0
|
20.9
|
1.0
|
|
F2
|
A:ALF220
|
2.5
|
15.7
|
0.6
|
|
F1
|
A:ALF220
|
2.5
|
15.4
|
0.6
|
|
F2
|
A:AF3219
|
2.6
|
22.7
|
0.4
|
|
O
|
A:HOH801
|
2.7
|
23.8
|
1.0
|
|
OD2
|
A:ASP11
|
2.8
|
21.6
|
1.0
|
|
OD1
|
A:ASP11
|
2.8
|
20.0
|
1.0
|
|
O
|
A:ASP13
|
2.9
|
16.7
|
1.0
|
|
O
|
A:HOH863
|
3.0
|
19.4
|
1.0
|
|
O
|
A:HOH895
|
3.1
|
17.0
|
1.0
|
|
CB
|
A:ASP13
|
3.1
|
14.4
|
1.0
|
|
CG
|
A:ASP11
|
3.1
|
19.4
|
1.0
|
|
F1
|
A:AF3219
|
3.2
|
24.1
|
0.4
|
|
O
|
A:HOH914
|
3.3
|
17.4
|
1.0
|
|
N
|
A:ASP13
|
3.3
|
13.8
|
1.0
|
|
CA
|
A:ASP13
|
3.4
|
16.1
|
1.0
|
|
C
|
A:ASP13
|
3.5
|
15.6
|
1.0
|
|
F3
|
A:ALF220
|
3.5
|
17.6
|
0.6
|
|
OD1
|
A:ASP13
|
3.9
|
17.6
|
1.0
|
|
CG
|
A:ASP13
|
4.0
|
15.0
|
1.0
|
|
OD2
|
A:ASP167
|
4.1
|
20.5
|
1.0
|
|
C
|
A:PHE12
|
4.2
|
13.8
|
1.0
|
|
N
|
A:PHE12
|
4.4
|
13.7
|
1.0
|
|
OE2
|
A:GLU20
|
4.6
|
19.5
|
1.0
|
|
CB
|
A:ASP11
|
4.6
|
17.9
|
1.0
|
|
OE1
|
A:GLU20
|
4.7
|
19.5
|
1.0
|
|
SE
|
A:MSE43
|
4.7
|
24.8
|
1.0
|
|
N
|
A:SER14
|
4.8
|
15.9
|
1.0
|
|
CA
|
A:PHE12
|
4.8
|
13.8
|
1.0
|
|
OD1
|
A:ASN170
|
5.0
|
23.6
|
1.0
|
|
O
|
A:PHE12
|
5.0
|
14.7
|
1.0
|
|
Fluorine binding site 5 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 5 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F219
b:24.1
occ:0.41
|
F1
|
A:AF3219
|
0.0
|
24.1
|
0.4
|
|
F3
|
A:ALF220
|
0.7
|
17.6
|
0.6
|
|
AL
|
A:ALF220
|
1.5
|
19.1
|
0.6
|
|
AL
|
A:AF3219
|
1.7
|
24.4
|
0.4
|
|
F1
|
A:ALF220
|
1.8
|
15.4
|
0.6
|
|
OD1
|
A:ASP11
|
2.6
|
20.0
|
1.0
|
|
NZ
|
A:LYS144
|
2.7
|
20.8
|
1.0
|
|
F2
|
A:ALF220
|
2.7
|
15.7
|
0.6
|
|
ND2
|
A:ASN170
|
2.8
|
22.1
|
1.0
|
|
O
|
A:HOH801
|
2.8
|
23.8
|
1.0
|
|
F2
|
A:AF3219
|
2.9
|
22.7
|
0.4
|
|
F3
|
A:AF3219
|
2.9
|
24.8
|
0.4
|
|
N
|
A:GLY100
|
3.0
|
15.9
|
1.0
|
|
F4
|
A:ALF220
|
3.2
|
14.7
|
0.6
|
|
CE
|
A:LYS144
|
3.4
|
19.9
|
1.0
|
|
CA
|
A:GLY100
|
3.8
|
16.1
|
1.0
|
|
CA
|
A:SER99
|
3.8
|
14.8
|
1.0
|
|
CG
|
A:ASN170
|
3.8
|
22.9
|
1.0
|
|
CG
|
A:ASP11
|
3.8
|
19.4
|
1.0
|
|
C
|
A:SER99
|
3.9
|
15.4
|
1.0
|
|
OD1
|
A:ASN170
|
4.0
|
23.6
|
1.0
|
|
OG
|
A:SER99
|
4.0
|
15.7
|
1.0
|
|
O
|
A:HOH863
|
4.2
|
19.4
|
1.0
|
|
CB
|
A:SER99
|
4.3
|
15.9
|
1.0
|
|
OD2
|
A:ASP11
|
4.5
|
21.6
|
1.0
|
|
OD1
|
A:ASP171
|
4.5
|
19.3
|
1.0
|
|
N
|
A:GLY101
|
4.5
|
15.7
|
1.0
|
|
O
|
A:VAL98
|
4.6
|
17.1
|
1.0
|
|
C
|
A:GLY100
|
4.6
|
15.3
|
1.0
|
|
MG
|
A:MG221
|
4.7
|
20.9
|
1.0
|
|
O
|
A:HOH914
|
4.8
|
17.4
|
1.0
|
|
CD
|
A:LYS144
|
4.9
|
18.6
|
1.0
|
|
CB
|
A:ASP11
|
4.9
|
17.9
|
1.0
|
|
N
|
A:SER99
|
4.9
|
17.2
|
1.0
|
|
N
|
A:PHE12
|
5.0
|
13.7
|
1.0
|
|
O
|
A:HOH907
|
5.0
|
23.9
|
1.0
|
|
OD1
|
A:ASP13
|
5.0
|
17.6
|
1.0
|
|
Fluorine binding site 6 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 6 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F219
b:22.7
occ:0.41
|
F2
|
A:AF3219
|
0.0
|
22.7
|
0.4
|
|
F2
|
A:ALF220
|
0.3
|
15.7
|
0.6
|
|
AL
|
A:AF3219
|
1.7
|
24.4
|
0.4
|
|
AL
|
A:ALF220
|
2.0
|
19.1
|
0.6
|
|
F4
|
A:ALF220
|
2.6
|
14.7
|
0.6
|
|
N
|
A:ASP13
|
2.6
|
13.8
|
1.0
|
|
O
|
A:HOH801
|
2.7
|
23.8
|
1.0
|
|
F3
|
A:ALF220
|
2.7
|
17.6
|
0.6
|
|
OD1
|
A:ASP11
|
2.8
|
20.0
|
1.0
|
|
OG
|
A:SER99
|
2.8
|
15.7
|
1.0
|
|
F3
|
A:AF3219
|
2.9
|
24.8
|
0.4
|
|
F1
|
A:AF3219
|
2.9
|
24.1
|
0.4
|
|
N
|
A:PHE12
|
3.0
|
13.7
|
1.0
|
|
CB
|
A:PHE12
|
3.1
|
12.8
|
1.0
|
|
OD1
|
A:ASP13
|
3.2
|
17.6
|
1.0
|
|
CA
|
A:PHE12
|
3.3
|
13.8
|
1.0
|
|
C
|
A:PHE12
|
3.3
|
13.8
|
1.0
|
|
CB
|
A:SER99
|
3.4
|
15.9
|
1.0
|
|
CG
|
A:ASP11
|
3.5
|
19.4
|
1.0
|
|
CB
|
A:ASP13
|
3.6
|
14.4
|
1.0
|
|
CG
|
A:ASP13
|
3.6
|
15.0
|
1.0
|
|
CA
|
A:ASP13
|
3.6
|
16.1
|
1.0
|
|
F1
|
A:ALF220
|
3.7
|
15.4
|
0.6
|
|
OD2
|
A:ASP11
|
3.8
|
21.6
|
1.0
|
|
CA
|
A:SER99
|
4.0
|
14.8
|
1.0
|
|
C
|
A:ASP11
|
4.1
|
14.9
|
1.0
|
|
CG
|
A:PHE12
|
4.2
|
15.0
|
1.0
|
|
N
|
A:GLY100
|
4.3
|
15.9
|
1.0
|
|
MG
|
A:MG221
|
4.3
|
20.9
|
1.0
|
|
O
|
A:ASP13
|
4.3
|
16.7
|
1.0
|
|
CD2
|
A:PHE12
|
4.4
|
14.5
|
1.0
|
|
C
|
A:ASP13
|
4.5
|
15.6
|
1.0
|
|
O
|
A:PHE12
|
4.5
|
14.7
|
1.0
|
|
CA
|
A:ASP11
|
4.6
|
15.2
|
1.0
|
|
C
|
A:SER99
|
4.6
|
15.4
|
1.0
|
|
OD2
|
A:ASP13
|
4.6
|
15.1
|
1.0
|
|
N
|
A:GLY101
|
4.6
|
15.7
|
1.0
|
|
NZ
|
A:LYS144
|
4.7
|
20.8
|
1.0
|
|
CB
|
A:ASP11
|
4.7
|
17.9
|
1.0
|
|
O
|
A:VAL98
|
4.8
|
17.1
|
1.0
|
|
O
|
A:HOH914
|
5.0
|
17.4
|
1.0
|
|
Fluorine binding site 7 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 7 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F219
b:24.8
occ:0.41
|
F3
|
A:AF3219
|
0.0
|
24.8
|
0.4
|
|
F4
|
A:ALF220
|
0.6
|
14.7
|
0.6
|
|
AL
|
A:ALF220
|
1.7
|
19.1
|
0.6
|
|
AL
|
A:AF3219
|
1.7
|
24.4
|
0.4
|
|
MG
|
A:MG221
|
1.9
|
20.9
|
1.0
|
|
F1
|
A:ALF220
|
2.0
|
15.4
|
0.6
|
|
O
|
A:HOH863
|
2.5
|
19.4
|
1.0
|
|
OD1
|
A:ASP11
|
2.7
|
20.0
|
1.0
|
|
O
|
A:HOH801
|
2.7
|
23.8
|
1.0
|
|
F2
|
A:ALF220
|
2.8
|
15.7
|
0.6
|
|
OD2
|
A:ASP11
|
2.8
|
21.6
|
1.0
|
|
F2
|
A:AF3219
|
2.9
|
22.7
|
0.4
|
|
F1
|
A:AF3219
|
2.9
|
24.1
|
0.4
|
|
O
|
A:HOH895
|
3.0
|
17.0
|
1.0
|
|
CG
|
A:ASP11
|
3.1
|
19.4
|
1.0
|
|
O
|
A:HOH914
|
3.2
|
17.4
|
1.0
|
|
O
|
A:ASP13
|
3.3
|
16.7
|
1.0
|
|
F3
|
A:ALF220
|
3.4
|
17.6
|
0.6
|
|
CB
|
A:ASP13
|
3.7
|
14.4
|
1.0
|
|
N
|
A:ASP13
|
3.9
|
13.8
|
1.0
|
|
C
|
A:ASP13
|
4.1
|
15.6
|
1.0
|
|
CA
|
A:ASP13
|
4.1
|
16.1
|
1.0
|
|
OD2
|
A:ASP167
|
4.1
|
20.5
|
1.0
|
|
SE
|
A:MSE43
|
4.2
|
24.8
|
1.0
|
|
OD1
|
A:ASN170
|
4.3
|
23.6
|
1.0
|
|
OD1
|
A:ASP13
|
4.3
|
17.6
|
1.0
|
|
CG
|
A:ASP13
|
4.5
|
15.0
|
1.0
|
|
ND2
|
A:ASN170
|
4.6
|
22.1
|
1.0
|
|
CB
|
A:ASP11
|
4.6
|
17.9
|
1.0
|
|
NZ
|
A:LYS144
|
4.7
|
20.8
|
1.0
|
|
OE2
|
A:GLU20
|
4.7
|
19.5
|
1.0
|
|
N
|
A:PHE12
|
4.7
|
13.7
|
1.0
|
|
C
|
A:PHE12
|
4.8
|
13.8
|
1.0
|
|
OD2
|
A:ASP171
|
4.8
|
17.2
|
1.0
|
|
OE1
|
A:GLU20
|
4.9
|
19.5
|
1.0
|
|
CG
|
A:ASN170
|
4.9
|
22.9
|
1.0
|
|
CG
|
A:ASP167
|
5.0
|
19.7
|
1.0
|
|
Fluorine binding site 8 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 8 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F720
b:14.3
occ:0.56
|
F1
|
B:ALF720
|
0.0
|
14.3
|
0.6
|
|
F1
|
B:AF3719
|
0.6
|
26.6
|
0.4
|
|
AL
|
B:AF3719
|
1.7
|
25.3
|
0.4
|
|
AL
|
B:ALF720
|
1.8
|
17.3
|
0.6
|
|
MG
|
B:MG721
|
1.8
|
17.5
|
1.0
|
|
OD1
|
B:ASP511
|
2.4
|
18.1
|
1.0
|
|
F4
|
B:ALF720
|
2.5
|
16.0
|
0.6
|
|
F3
|
B:ALF720
|
2.5
|
14.3
|
0.6
|
|
OD2
|
B:ASP511
|
2.6
|
19.8
|
1.0
|
|
F3
|
B:AF3719
|
2.6
|
23.9
|
0.4
|
|
O
|
B:HOH1008
|
2.8
|
23.2
|
1.0
|
|
O
|
B:ASP513
|
2.8
|
14.6
|
1.0
|
|
CG
|
B:ASP511
|
2.8
|
17.8
|
1.0
|
|
O
|
B:HOH802
|
2.9
|
23.5
|
1.0
|
|
O
|
B:HOH877
|
3.1
|
16.4
|
1.0
|
|
F2
|
B:AF3719
|
3.2
|
26.5
|
0.4
|
|
CB
|
B:ASP513
|
3.2
|
13.6
|
1.0
|
|
N
|
B:ASP513
|
3.3
|
12.6
|
1.0
|
|
CA
|
B:ASP513
|
3.5
|
13.7
|
1.0
|
|
C
|
B:ASP513
|
3.5
|
13.8
|
1.0
|
|
O
|
B:HOH864
|
3.5
|
16.7
|
1.0
|
|
F2
|
B:ALF720
|
3.5
|
14.6
|
0.6
|
|
OD2
|
B:ASP667
|
3.9
|
19.3
|
1.0
|
|
OD1
|
B:ASP513
|
4.1
|
17.4
|
1.0
|
|
C
|
B:PHE512
|
4.1
|
12.8
|
1.0
|
|
CG
|
B:ASP513
|
4.2
|
15.0
|
1.0
|
|
N
|
B:PHE512
|
4.2
|
13.2
|
1.0
|
|
CB
|
B:ASP511
|
4.3
|
15.0
|
1.0
|
|
OE2
|
B:GLU520
|
4.6
|
21.3
|
1.0
|
|
CA
|
B:PHE512
|
4.7
|
13.2
|
1.0
|
|
SE
|
B:MSE543
|
4.8
|
23.7
|
1.0
|
|
N
|
B:SER514
|
4.8
|
15.1
|
1.0
|
|
NZ
|
B:LYS644
|
4.8
|
14.7
|
1.0
|
|
C
|
B:ASP511
|
4.9
|
13.6
|
1.0
|
|
O
|
B:PHE512
|
4.9
|
12.6
|
1.0
|
|
CG
|
B:ASP667
|
4.9
|
20.7
|
1.0
|
|
OE1
|
B:GLU520
|
4.9
|
18.6
|
1.0
|
|
Fluorine binding site 9 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 9 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F720
b:14.6
occ:0.56
|
F2
|
B:ALF720
|
0.0
|
14.6
|
0.6
|
|
F2
|
B:AF3719
|
0.8
|
26.5
|
0.4
|
|
AL
|
B:ALF720
|
1.8
|
17.3
|
0.6
|
|
AL
|
B:AF3719
|
1.9
|
25.3
|
0.4
|
|
N
|
B:GLY600
|
2.4
|
11.8
|
1.0
|
|
F3
|
B:ALF720
|
2.5
|
14.3
|
0.6
|
|
F4
|
B:ALF720
|
2.5
|
16.0
|
0.6
|
|
F3
|
B:AF3719
|
2.7
|
23.9
|
0.4
|
|
NZ
|
B:LYS644
|
2.8
|
14.7
|
1.0
|
|
OD1
|
B:ASP511
|
2.9
|
18.1
|
1.0
|
|
O
|
B:HOH802
|
2.9
|
23.5
|
1.0
|
|
ND2
|
B:ASN670
|
3.1
|
14.8
|
1.0
|
|
CA
|
B:SER599
|
3.2
|
13.2
|
1.0
|
|
C
|
B:SER599
|
3.2
|
12.7
|
1.0
|
|
CE
|
B:LYS644
|
3.3
|
13.5
|
1.0
|
|
F1
|
B:AF3719
|
3.4
|
26.6
|
0.4
|
|
CA
|
B:GLY600
|
3.4
|
12.2
|
1.0
|
|
OG
|
B:SER599
|
3.5
|
16.5
|
1.0
|
|
F1
|
B:ALF720
|
3.5
|
14.3
|
0.6
|
|
CB
|
B:SER599
|
3.8
|
12.8
|
1.0
|
|
N
|
B:GLY601
|
4.1
|
13.0
|
1.0
|
|
CG
|
B:ASP511
|
4.1
|
17.8
|
1.0
|
|
C
|
B:GLY600
|
4.2
|
11.9
|
1.0
|
|
O
|
B:VAL598
|
4.2
|
14.0
|
1.0
|
|
CG
|
B:ASN670
|
4.3
|
17.1
|
1.0
|
|
N
|
B:SER599
|
4.4
|
13.3
|
1.0
|
|
O
|
B:SER599
|
4.4
|
13.0
|
1.0
|
|
O
|
B:HOH1008
|
4.5
|
23.2
|
1.0
|
|
OD1
|
B:ASN670
|
4.6
|
16.6
|
1.0
|
|
C
|
B:VAL598
|
4.7
|
13.8
|
1.0
|
|
CD
|
B:LYS644
|
4.8
|
12.9
|
1.0
|
|
N
|
B:PHE512
|
4.8
|
13.2
|
1.0
|
|
O
|
B:HOH837
|
4.9
|
18.3
|
1.0
|
|
OD2
|
B:ASP511
|
4.9
|
19.8
|
1.0
|
|
OD1
|
B:ASP513
|
4.9
|
17.4
|
1.0
|
|
O
|
B:HOH864
|
5.0
|
16.7
|
1.0
|
|
Fluorine binding site 10 out
of 14 in 1l7n
Go back to
Fluorine Binding Sites List in 1l7n
Fluorine binding site 10 out
of 14 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F720
b:14.3
occ:0.56
|
F3
|
B:ALF720
|
0.0
|
14.3
|
0.6
|
|
AL
|
B:ALF720
|
1.8
|
17.3
|
0.6
|
|
F2
|
B:AF3719
|
1.8
|
26.5
|
0.4
|
|
F1
|
B:AF3719
|
2.0
|
26.6
|
0.4
|
|
AL
|
B:AF3719
|
2.0
|
25.3
|
0.4
|
|
O
|
B:HOH1008
|
2.4
|
23.2
|
1.0
|
|
F2
|
B:ALF720
|
2.5
|
14.6
|
0.6
|
|
F1
|
B:ALF720
|
2.5
|
14.3
|
0.6
|
|
ND2
|
B:ASN670
|
2.7
|
14.8
|
1.0
|
|
OD1
|
B:ASN670
|
2.8
|
16.6
|
1.0
|
|
O
|
B:HOH802
|
2.9
|
23.5
|
1.0
|
|
OD1
|
B:ASP511
|
2.9
|
18.1
|
1.0
|
|
CG
|
B:ASN670
|
3.1
|
17.1
|
1.0
|
|
MG
|
B:MG721
|
3.4
|
17.5
|
1.0
|
|
O
|
B:HOH864
|
3.5
|
16.7
|
1.0
|
|
F4
|
B:ALF720
|
3.5
|
16.0
|
0.6
|
|
NZ
|
B:LYS644
|
3.6
|
14.7
|
1.0
|
|
F3
|
B:AF3719
|
3.7
|
23.9
|
0.4
|
|
SE
|
B:MSE543
|
3.7
|
23.7
|
1.0
|
|
CG
|
B:ASP511
|
3.8
|
17.8
|
1.0
|
|
OD2
|
B:ASP511
|
4.0
|
19.8
|
1.0
|
|
O
|
B:HOH877
|
4.2
|
16.4
|
1.0
|
|
CE
|
B:MSE543
|
4.3
|
20.9
|
1.0
|
|
CE
|
B:LYS644
|
4.5
|
13.5
|
1.0
|
|
OD2
|
B:ASP671
|
4.6
|
16.3
|
1.0
|
|
OD1
|
B:ASP671
|
4.6
|
17.8
|
1.0
|
|
CB
|
B:ASN670
|
4.6
|
15.5
|
1.0
|
|
N
|
B:GLY600
|
4.7
|
11.8
|
1.0
|
|
CG
|
B:ASP671
|
4.9
|
14.9
|
1.0
|
|
Reference:
W.Wang,
H.S.Cho,
R.Kim,
J.Jancarik,
H.Yokota,
H.H.Nguyen,
I.V.Grigoriev,
D.E.Wemmer,
S.H.Kim.
Structural Characterization of the Reaction Pathway in Phosphoserine Phosphatase: Crystallographic "Snapshots" of Intermediate States. J.Mol.Biol. V. 319 421 2002.
ISSN: ISSN 0022-2836
PubMed: 12051918
DOI: 10.1016/S0022-2836(02)00324-8
Page generated: Wed Jul 31 11:47:05 2024
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